(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

C18H14ClFN2O2 — CID 126245366

IUPAC(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C18H14ClFN2O2/c1-11-4-2-5-12(8-11)10-22-17(23)16(21-18(22)24)9-13-14(19)6-3-7-15(13)20/h2-9H,10H2,1H3,(H,21,24)/b16-9+
InChIKeyCIFXMCJKVNGENH-CXUHLZMHSA-N
MW344.77 g/mol
LogP3.88
Rot. Bonds3

About (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126245366) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126245366
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C18H14ClFN2O2/c1-11-4-2-5-12(8-11)10-22-17(23)16(21-18(22)24)9-13-14(19)6-3-7-15(13)20/h2-9H,10H2,1H3,(H,21,24)/b16-9+
InChIKeyCIFXMCJKVNGENH-CXUHLZMHSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697530
5-[(4-hydroxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 848307
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241120
(5E)-5-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126230128
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126230252
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
(5E)-5-[[3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237348
(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126258604
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126254975

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126245366) is (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1.
What is the InChIKey of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is CIFXMCJKVNGENH-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-11-4-2-5-12(8-11)10-22-17(23)16(21-18(22)24)9-13-14(19)6-3-7-15(13)20/h2-9H,10H2,1H3,(H,21,24)/b16-9+.
What are the key properties of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 344.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126245366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).